tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne

C49H74N6O7 — CID 158206484

IUPACtert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne
SMILESCC#CC#CC#CC#CC#CC#CC#CC.CC(C)(C)OC(=O)N1CCOC(CN)C1.CCN(CC)CC1CN(C(=O)OC(C)(C)C)CCO1.CCN(CC)CC1CNCCO1
InChIInChI=1S/C16H6.C14H28N2O3.C10H20N2O3.C9H20N2O/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-6-15(7-2)10-12-11-16(8-9-18-12)13(17)19-14(3,4)5;1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;1-3-11(4-2)8-9-7-10-5-6-12-9/h1-2H3;12H,6-11H2,1-5H3;8H,4-7,11H2,1-3H3;9-10H,3-8H2,1-2H3
InChIKeyGBOFMKGPNYHBGF-UHFFFAOYSA-N
MW859.17 g/mol
LogP3.91
Rot. Bonds9

About tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne

tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne (PubChem CID 158206484) has the molecular formula C49H74N6O7 and a molecular weight of 859.17 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne
PubChem CID158206484
Molecular FormulaC49H74N6O7
Molecular Weight859.17 g/mol
Exact Mass858.56
IUPAC Nametert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne
SMILESCC#CC#CC#CC#CC#CC#CC#CC.CC(C)(C)OC(=O)N1CCOC(CN)C1.CCN(CC)CC1CN(C(=O)OC(C)(C)C)CCO1.CCN(CC)CC1CNCCO1
InChIInChI=1S/C16H6.C14H28N2O3.C10H20N2O3.C9H20N2O/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-6-15(7-2)10-12-11-16(8-9-18-12)13(17)19-14(3,4)5;1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;1-3-11(4-2)8-9-7-10-5-6-12-9/h1-2H3;12H,6-11H2,1-5H3;8H,4-7,11H2,1-3H3;9-10H,3-8H2,1-2H3
InChIKeyGBOFMKGPNYHBGF-UHFFFAOYSA-N
XLogP3.91
TPSA131.30 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.17
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne with MolForge

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Related Compounds

tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-[(methoxycarbonylamino)methyl]morpholine-4-carboxylate;methyl carbonochloridate;methyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 157472196
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(oxan-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne;methane
CID 157774361
acetyl acetate;tert-butyl (2R)-2-(acetamidomethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(aminomethyl)morpholine-4-carboxylate;N-[[(2S)-morpholin-2-yl]methyl]acetamide
CID 158712649
tert-butyl N-(2-morpholin-4-ylethyl)carbamate;N-methyl-2-morpholin-4-ylethanamine;2-morpholin-4-ylethanamine
CID 161052358
Tert-butyl 3-methylmorpholine-4-carboxylate;3,4-dimethylmorpholine;ethane;3-methylmorpholine
CID 168168981

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne?
The IUPAC name of tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne (CID 158206484) is tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne.
What is the SMILES notation for tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne?
The canonical SMILES for tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne is CC#CC#CC#CC#CC#CC#CC#CC.CC(C)(C)OC(=O)N1CCOC(CN)C1.CCN(CC)CC1CN(C(=O)OC(C)(C)C)CCO1.CCN(CC)CC1CNCCO1.
What is the InChIKey of tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne?
The InChIKey is GBOFMKGPNYHBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6.C14H28N2O3.C10H20N2O3.C9H20N2O/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-6-15(7-2)10-12-11-16(8-9-18-12)13(17)19-14(3,4)5;1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12;1-3-11(4-2)8-9-7-10-5-6-12-9/h1-2H3;12H,6-11H2,1-5H3;8H,4-7,11H2,1-3H3;9-10H,3-8H2,1-2H3.
What are the key properties of tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne?
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne has a molecular weight of 859.17 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;tert-butyl 2-(diethylaminomethyl)morpholine-4-carboxylate;N-ethyl-N-(morpholin-2-ylmethyl)ethanamine;hexadeca-2,4,6,8,10,12,14-heptayne is sourced from PubChem (CID 158206484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).